tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane

C23H30O2Si — CID 134833273

IUPACtert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC1C=CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-19-17-20-12-10-11-18-24-20/h4-10,12-16,20H,11,17-19H2,1-3H3
InChIKeyVDDIFINKGFNHSO-UHFFFAOYSA-N
MW366.58 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane

tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane (PubChem CID 134833273) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane
PubChem CID134833273
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Nametert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC1C=CCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-19-17-20-12-10-11-18-24-20/h4-10,12-16,20H,11,17-19H2,1-3H3
InChIKeyVDDIFINKGFNHSO-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane (CID 134833273) is tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane is CC(C)(C)[Si](OCCC1C=CCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane?
The InChIKey is VDDIFINKGFNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-23(2,3)26(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-19-17-20-12-10-11-18-24-20/h4-10,12-16,20H,11,17-19H2,1-3H3.
What are the key properties of tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane?
tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane has a molecular weight of 366.58 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(3,6-dihydro-2H-pyran-6-yl)ethoxy]-diphenylsilane is sourced from PubChem (CID 134833273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).